Benzene and substituted derivatives
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4-Bromophenylboronic acid, 98%
CAS: 5467-74-3 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD00002104 InChI Key: QBLFZIBJXUQVRF-UHFFFAOYSA-N Synonym: 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid PubChem CID: 79599 IUPAC Name: (4-bromophenyl)boronic acid SMILES: OB(O)C1=CC=C(Br)C=C1
| PubChem CID | 79599 |
|---|---|
| CAS | 5467-74-3 |
| Molecular Weight (g/mol) | 200.83 |
| MDL Number | MFCD00002104 |
| SMILES | OB(O)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid |
| IUPAC Name | (4-bromophenyl)boronic acid |
| InChI Key | QBLFZIBJXUQVRF-UHFFFAOYSA-N |
| Molecular Formula | C6H6BBrO2 |
Bis(4-bromophenyl)acetylene, 97%
CAS: 2789-89-1 Molecular Formula: C14H8Br2 Molecular Weight (g/mol): 336.03 MDL Number: MFCD00185147 InChI Key: FJQGIJIHOXZMMJ-UHFFFAOYSA-N Synonym: 1,2-bis 4-bromophenyl ethyne,bis 4-bromophenyl acetylene,1-bromo-4-2-4-bromophenyl ethynyl benzene,bis-4-bromophenyl acetylene,1,2-bis 4-bromophenyl acetylene,benzene, 1,1'-1,2-ethynediyl bis 4-bromo,4,4'-dibromotolan,4,4'-dibromotolane,bis-p-bromophenyl acetylene,1 pound not2-bis 4-bromophenyl acetylene PubChem CID: 3464242 IUPAC Name: 1-bromo-4-[2-(4-bromophenyl)ethynyl]benzene SMILES: BrC1=CC=C(C=C1)C#CC1=CC=C(Br)C=C1
| PubChem CID | 3464242 |
|---|---|
| CAS | 2789-89-1 |
| Molecular Weight (g/mol) | 336.03 |
| MDL Number | MFCD00185147 |
| SMILES | BrC1=CC=C(C=C1)C#CC1=CC=C(Br)C=C1 |
| Synonym | 1,2-bis 4-bromophenyl ethyne,bis 4-bromophenyl acetylene,1-bromo-4-2-4-bromophenyl ethynyl benzene,bis-4-bromophenyl acetylene,1,2-bis 4-bromophenyl acetylene,benzene, 1,1'-1,2-ethynediyl bis 4-bromo,4,4'-dibromotolan,4,4'-dibromotolane,bis-p-bromophenyl acetylene,1 pound not2-bis 4-bromophenyl acetylene |
| IUPAC Name | 1-bromo-4-[2-(4-bromophenyl)ethynyl]benzene |
| InChI Key | FJQGIJIHOXZMMJ-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2 |
3-(2-Fluorophenyl)-1H-pyrazole, 98%
CAS: 149739-32-2 Molecular Formula: C9H7FN2 Molecular Weight (g/mol): 162.17 MDL Number: MFCD00973917 InChI Key: PZNGOFHHOGORBU-UHFFFAOYSA-N Synonym: 3-2-fluorophenyl-1h-pyrazole,3-2-fluorophenyl pyrazole,1h-pyrazole, 3-2-fluorophenyl,1h-pyrazole,3-2-fluorophenyl,5-2-fluorophenyl-1h-pyrazole,3-2-fluoro-phenyl-1h-pyrazole,3-2-fluorophenyl-2h-pyrazole PubChem CID: 2774734 IUPAC Name: 5-(2-fluorophenyl)-1H-pyrazole SMILES: FC1=CC=CC=C1C1=CC=NN1
| PubChem CID | 2774734 |
|---|---|
| CAS | 149739-32-2 |
| Molecular Weight (g/mol) | 162.17 |
| MDL Number | MFCD00973917 |
| SMILES | FC1=CC=CC=C1C1=CC=NN1 |
| Synonym | 3-2-fluorophenyl-1h-pyrazole,3-2-fluorophenyl pyrazole,1h-pyrazole, 3-2-fluorophenyl,1h-pyrazole,3-2-fluorophenyl,5-2-fluorophenyl-1h-pyrazole,3-2-fluoro-phenyl-1h-pyrazole,3-2-fluorophenyl-2h-pyrazole |
| IUPAC Name | 5-(2-fluorophenyl)-1H-pyrazole |
| InChI Key | PZNGOFHHOGORBU-UHFFFAOYSA-N |
| Molecular Formula | C9H7FN2 |
2-Fluorophenylacetic acid, 98+%
CAS: 451-82-1 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004315 InChI Key: RPTRFSADOICSSK-UHFFFAOYSA-N Synonym: 2-fluorophenylacetic acid,2-2-fluorophenyl acetic acid,o-fluorophenylacetic acid,benzeneacetic acid, 2-fluoro,2-fluorophenyl acetic acid,2-fluorophenylaceticacid,acetic acid, o-fluorophenyl,pubchem4164,2fluorophenylacetic acid PubChem CID: 67979 IUPAC Name: 2-(2-fluorophenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)F
| PubChem CID | 67979 |
|---|---|
| CAS | 451-82-1 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00004315 |
| SMILES | C1=CC=C(C(=C1)CC(=O)O)F |
| Synonym | 2-fluorophenylacetic acid,2-2-fluorophenyl acetic acid,o-fluorophenylacetic acid,benzeneacetic acid, 2-fluoro,2-fluorophenyl acetic acid,2-fluorophenylaceticacid,acetic acid, o-fluorophenyl,pubchem4164,2fluorophenylacetic acid |
| IUPAC Name | 2-(2-fluorophenyl)acetic acid |
| InChI Key | RPTRFSADOICSSK-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
1,2-Diamino-4,5-difluorobenzene, 97%
CAS: 76179-40-3 Molecular Formula: C6H6F2N2 Molecular Weight (g/mol): 144.13 MDL Number: MFCD00061131 InChI Key: PPWRHKISAQTCCG-UHFFFAOYSA-N Synonym: 1,2-diamino-4,5-difluorobenzene,4,5-difluoro-1,2-phenylenediamine,4,5-difluoro-o-phenylenediamine,2-amino-4,5-difluorophenylamine,4,5-difluoro-benzene-1,2-diamine,4,5-difluoro-1,2-benzenediamine,1,2-benzenediamine,4,5-difluoro,1,2-benzenediamine, 4,5-difluoro,pubchem4354,2-amino-4,5-difluoroaniline PubChem CID: 2736755 IUPAC Name: 4,5-difluorobenzene-1,2-diamine SMILES: NC1=CC(F)=C(F)C=C1N
| PubChem CID | 2736755 |
|---|---|
| CAS | 76179-40-3 |
| Molecular Weight (g/mol) | 144.13 |
| MDL Number | MFCD00061131 |
| SMILES | NC1=CC(F)=C(F)C=C1N |
| Synonym | 1,2-diamino-4,5-difluorobenzene,4,5-difluoro-1,2-phenylenediamine,4,5-difluoro-o-phenylenediamine,2-amino-4,5-difluorophenylamine,4,5-difluoro-benzene-1,2-diamine,4,5-difluoro-1,2-benzenediamine,1,2-benzenediamine,4,5-difluoro,1,2-benzenediamine, 4,5-difluoro,pubchem4354,2-amino-4,5-difluoroaniline |
| IUPAC Name | 4,5-difluorobenzene-1,2-diamine |
| InChI Key | PPWRHKISAQTCCG-UHFFFAOYSA-N |
| Molecular Formula | C6H6F2N2 |
1-Bromo-2,4-dinitrobenzene, 98%
CAS: 584-48-5 Molecular Formula: C6H3BrN2O4 Molecular Weight (g/mol): 247.004 MDL Number: MFCD00041873 InChI Key: PBOPJYORIDJAFE-UHFFFAOYSA-N PubChem CID: 11441 ChEBI: CHEBI:58999 IUPAC Name: 1-bromo-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br
| PubChem CID | 11441 |
|---|---|
| CAS | 584-48-5 |
| Molecular Weight (g/mol) | 247.004 |
| ChEBI | CHEBI:58999 |
| MDL Number | MFCD00041873 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br |
| IUPAC Name | 1-bromo-2,4-dinitrobenzene |
| InChI Key | PBOPJYORIDJAFE-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrN2O4 |
3-Bromo-5-fluorobenzonitrile, 98%
CAS: 179898-34-1 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD04038227 InChI Key: IADLVSLZPQYXIF-UHFFFAOYSA-N Synonym: 3-fluoro-5-bromobenzonitrile,benzonitrile, 3-bromo-5-fluoro,5-bromo-3-fluorobenzenecarbonitrile,3-cyano-5-fluorobromobenzene,3-bromo 5-fluorobenzonitrile,3-bromo-5-fluoro-benzonitrile,3-bromo-5-fluorobenzenecarbonitrile,pubchem3220,acmc-209yem,3-fluoro-5-bromobenzonitile PubChem CID: 2783330 IUPAC Name: 3-bromo-5-fluorobenzonitrile SMILES: FC1=CC(Br)=CC(=C1)C#N
| PubChem CID | 2783330 |
|---|---|
| CAS | 179898-34-1 |
| Molecular Weight (g/mol) | 200.01 |
| MDL Number | MFCD04038227 |
| SMILES | FC1=CC(Br)=CC(=C1)C#N |
| Synonym | 3-fluoro-5-bromobenzonitrile,benzonitrile, 3-bromo-5-fluoro,5-bromo-3-fluorobenzenecarbonitrile,3-cyano-5-fluorobromobenzene,3-bromo 5-fluorobenzonitrile,3-bromo-5-fluoro-benzonitrile,3-bromo-5-fluorobenzenecarbonitrile,pubchem3220,acmc-209yem,3-fluoro-5-bromobenzonitile |
| IUPAC Name | 3-bromo-5-fluorobenzonitrile |
| InChI Key | IADLVSLZPQYXIF-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrFN |
5-(4-bromophenyl)-3-methyl-1,2,4-oxadiazole, 97%, Thermo Scientific™
CAS: 71566-07-9 Molecular Formula: C9H7BrN2O Molecular Weight (g/mol): 239.072 InChI Key: AVXXUFMZRHQRTK-UHFFFAOYSA-N PubChem CID: 1214889 IUPAC Name: 5-(4-bromophenyl)-3-methyl-1,2,4-oxadiazole SMILES: CC1=NOC(=N1)C2=CC=C(C=C2)Br
| PubChem CID | 1214889 |
|---|---|
| CAS | 71566-07-9 |
| Molecular Weight (g/mol) | 239.072 |
| SMILES | CC1=NOC(=N1)C2=CC=C(C=C2)Br |
| IUPAC Name | 5-(4-bromophenyl)-3-methyl-1,2,4-oxadiazole |
| InChI Key | AVXXUFMZRHQRTK-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrN2O |
2-Bromophenylboronic acid, 97%
CAS: 244205-40-1 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD01114672 InChI Key: PLVCYMZAEQRYHJ-UHFFFAOYSA-N Synonym: 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid PubChem CID: 2773294 IUPAC Name: (2-bromophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1Br
| PubChem CID | 2773294 |
|---|---|
| CAS | 244205-40-1 |
| Molecular Weight (g/mol) | 200.83 |
| MDL Number | MFCD01114672 |
| SMILES | OB(O)C1=CC=CC=C1Br |
| Synonym | 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid |
| IUPAC Name | (2-bromophenyl)boronic acid |
| InChI Key | PLVCYMZAEQRYHJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6BBrO2 |
3-Bromophenyl isocyanate, 97%
CAS: 23138-55-8 Molecular Formula: C7H4BrNO Molecular Weight (g/mol): 198.02 MDL Number: MFCD00002014 InChI Key: VQVBCZQTXSHJGF-UHFFFAOYSA-N Synonym: 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f PubChem CID: 141001 IUPAC Name: 1-bromo-3-isocyanatobenzene SMILES: BrC1=CC=CC(=C1)N=C=O
| PubChem CID | 141001 |
|---|---|
| CAS | 23138-55-8 |
| Molecular Weight (g/mol) | 198.02 |
| MDL Number | MFCD00002014 |
| SMILES | BrC1=CC=CC(=C1)N=C=O |
| Synonym | 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f |
| IUPAC Name | 1-bromo-3-isocyanatobenzene |
| InChI Key | VQVBCZQTXSHJGF-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO |
1,4-Dibromo-2-nitrobenzene, 98%
CAS: 3460-18-2 Molecular Formula: C6H3Br2NO2 Molecular Weight (g/mol): 280.903 MDL Number: MFCD00007046 InChI Key: WRGKKASJBOREMB-UHFFFAOYSA-N Synonym: 2,5-dibromonitrobenzene,1,4-dibromo-2-nitro-benzene,benzene, 1,4-dibromo-2-nitro,2,5-dibromo-1-nitrobenzene,rarechem fh 1w 0042,pubchem3899,1,4-dibromonitrobenzene,2,5-dibromo nitrobenzene,2,5-dibromo-nitrobenzene,acmc-1ahj1 PubChem CID: 77004 IUPAC Name: 1,4-dibromo-2-nitrobenzene SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])Br
| PubChem CID | 77004 |
|---|---|
| CAS | 3460-18-2 |
| Molecular Weight (g/mol) | 280.903 |
| MDL Number | MFCD00007046 |
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])Br |
| Synonym | 2,5-dibromonitrobenzene,1,4-dibromo-2-nitro-benzene,benzene, 1,4-dibromo-2-nitro,2,5-dibromo-1-nitrobenzene,rarechem fh 1w 0042,pubchem3899,1,4-dibromonitrobenzene,2,5-dibromo nitrobenzene,2,5-dibromo-nitrobenzene,acmc-1ahj1 |
| IUPAC Name | 1,4-dibromo-2-nitrobenzene |
| InChI Key | WRGKKASJBOREMB-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br2NO2 |
1-Bromo-4-(trifluoromethoxy)benzene, 98%
CAS: 407-14-7 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.01 MDL Number: MFCD00040834 InChI Key: SEAOBYFQWJFORM-UHFFFAOYSA-N Synonym: 1-bromo-4-trifluoromethoxy benzene,4-trifluoromethoxy bromobenzene,4-bromo trifluoromethoxy benzene,4-trifluoromethoxybromobenzene,p-bromotrifluoromethoxybenzene,benzene, 1-bromo-4-trifluoromethoxy,4-bromo-1-trifluoromethoxy benzene,p-trifluoromethoxybromobenzene,4-bromotrifluoromethoxybenzene,4-bromo-trifluoromethoxybenzene PubChem CID: 521008 IUPAC Name: 1-bromo-4-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=C(Br)C=C1
| PubChem CID | 521008 |
|---|---|
| CAS | 407-14-7 |
| Molecular Weight (g/mol) | 241.01 |
| MDL Number | MFCD00040834 |
| SMILES | FC(F)(F)OC1=CC=C(Br)C=C1 |
| Synonym | 1-bromo-4-trifluoromethoxy benzene,4-trifluoromethoxy bromobenzene,4-bromo trifluoromethoxy benzene,4-trifluoromethoxybromobenzene,p-bromotrifluoromethoxybenzene,benzene, 1-bromo-4-trifluoromethoxy,4-bromo-1-trifluoromethoxy benzene,p-trifluoromethoxybromobenzene,4-bromotrifluoromethoxybenzene,4-bromo-trifluoromethoxybenzene |
| IUPAC Name | 1-bromo-4-(trifluoromethoxy)benzene |
| InChI Key | SEAOBYFQWJFORM-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O |
2,2'-Dibromobiphenyl, 98%
CAS: 13029-09-9 Molecular Formula: C12H8Br2 Molecular Weight (g/mol): 312.01 MDL Number: MFCD00093707 InChI Key: DRKHIWKXLZCAKP-UHFFFAOYSA-N Synonym: 2,2'-dibromobiphenyl,2,2'-dibromo-1,1'-biphenyl,o,o'-dibromobiphenyl,1-bromo-2-2-bromophenyl benzene,1,1'-biphenyl, 2,2'-dibromo,unii-gsl06p6p2l,biphenyl, 2,2'-dibromo,gsl06p6p2l,1,1'-biphenyl, 2,2'-dibromo-9ci,biphenyl,2'-dibromo PubChem CID: 83060 IUPAC Name: 1-bromo-2-(2-bromophenyl)benzene SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2Br)Br
| PubChem CID | 83060 |
|---|---|
| CAS | 13029-09-9 |
| Molecular Weight (g/mol) | 312.01 |
| MDL Number | MFCD00093707 |
| SMILES | C1=CC=C(C(=C1)C2=CC=CC=C2Br)Br |
| Synonym | 2,2'-dibromobiphenyl,2,2'-dibromo-1,1'-biphenyl,o,o'-dibromobiphenyl,1-bromo-2-2-bromophenyl benzene,1,1'-biphenyl, 2,2'-dibromo,unii-gsl06p6p2l,biphenyl, 2,2'-dibromo,gsl06p6p2l,1,1'-biphenyl, 2,2'-dibromo-9ci,biphenyl,2'-dibromo |
| IUPAC Name | 1-bromo-2-(2-bromophenyl)benzene |
| InChI Key | DRKHIWKXLZCAKP-UHFFFAOYSA-N |
| Molecular Formula | C12H8Br2 |
(R)-3-Bromo-alpha-methylbenzyl alcohol, 95%, 98% ee
CAS: 134615-24-0 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.06 MDL Number: MFCD06658929 InChI Key: ULMJQMDYAOJNCC-ZCFIWIBFSA-N Synonym: r-1-3-bromophenyl ethanol,1r-1-3-bromophenyl ethanol,1r-1-3-bromophenyl ethan-1-ol,pubchem15565,r-1-m-bromophenyl ethanol,r-1-3-bromo-phenyl-ethanol,r-3-bromo-alpha-methylbenzyl alcohol,benzenemethanol, 3-bromo-a-methyl-, ar PubChem CID: 2734889 IUPAC Name: (1R)-1-(3-bromophenyl)ethanol SMILES: CC(C1=CC(=CC=C1)Br)O
| PubChem CID | 2734889 |
|---|---|
| CAS | 134615-24-0 |
| Molecular Weight (g/mol) | 201.06 |
| MDL Number | MFCD06658929 |
| SMILES | CC(C1=CC(=CC=C1)Br)O |
| Synonym | r-1-3-bromophenyl ethanol,1r-1-3-bromophenyl ethanol,1r-1-3-bromophenyl ethan-1-ol,pubchem15565,r-1-m-bromophenyl ethanol,r-1-3-bromo-phenyl-ethanol,r-3-bromo-alpha-methylbenzyl alcohol,benzenemethanol, 3-bromo-a-methyl-, ar |
| IUPAC Name | (1R)-1-(3-bromophenyl)ethanol |
| InChI Key | ULMJQMDYAOJNCC-ZCFIWIBFSA-N |
| Molecular Formula | C8H9BrO |